SCHEMBL5891041

SCHEMBL5891041

CC(=O)Nc1ccc(S(=O)(=O)O)cc1C.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.56
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 4/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
BACE1 P56817 1/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR1 P03372 1/20 0.43
PKM P14618 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TP53 P04637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12555528 0.98 CASP6 (0.57) CASP6CA1CA2CA9ALDH1A1
Pyridine SCHEMBL5891724 0.87 CASP6 (0.51) CASP6CA1CA2CA9ALDH1A1
SCHEMBL2626664 0.83 CA1 (0.53) CASP6CA1CA2CA9ALDH1A1
SCHEMBL30139067 0.83 LMNA (0.55) CASP6CA1CA2CA9ALDH1A1
SCHEMBL5891034 0.83 LMNA (0.55) CASP6CA1CA2CA9ALDH1A1
SCHEMBL2639424 0.83 CA1 (0.71) CA1CA2CA9ALDH1A1HPGD
SCHEMBL27467793 0.83 MEN1 (0.53) CASP6CA1CA2ALDH1A1BACE1
SCHEMBL9651923 0.81 CA2 (0.47) CASP6CA1CA2CA9LMNA
SCHEMBL149505 0.80 CA1 (0.74) CASP6CA1CA2CA9ALDH1A1
SCHEMBL11638608 0.80 CA1 (0.77) CASP6CA1CA2CA9NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358404-B Preparation method of 2-chloro-6-methylaniline 扬州市普林斯医药科技有限公司 2023-01-20 CN disclosed
CN-112358404-A Preparation method of 2-chloro-6-methylaniline 扬州市普林斯医药科技有限公司 2021-02-12 CN disclosed
US-6995283-B2 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2006-02-07 US disclosed
US-20060009651-A1 Benzophenones as inhibitors of reverse transcriptase CHAN JOSEPH H 2006-01-12 US disclosed
US-20040122064-A1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION 2004-06-24 US disclosed
EP-1363877-A2 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070470-A2 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE SMITHKLINE BEECHAM CORPORATION (US) 2002-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060009651-A1 Benzophenones as inhibitors of reverse transcriptase POLRMT, ELL, POLR2A CASP6 1957/4885CA1 4866/4885CA2 4784/4885
US-20040122064-A1 Benzophenones as inhibitors of reverse transcriptase POLRMT, ELL, POLR2A CASP6 1957/4885CA1 4866/4885CA2 4784/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.